(3,4-dimethyl-1,2-oxazol-5-yl)-(methoxymethyl)-sulfonyl-azanium; methyl thiophene-2-carboxylate

Systemtic Name: (3,4-dimethyl-1,2-oxazol-5-yl)-(methoxymethyl)-sulfonyl-azanium; methyl thiophene-2-carboxylate Openeye Name: (3,4-dimethylisoxazol-5-yl)-(methoxymethyl)-sulfonyl-ammonium; methyl thiophene-2-carboxylate CAS Name: (3,4-dimethyl-5-isoxazolyl)-(methoxymethyl)-sulfonylammonium; 2-thiophenecarboxylic acid methyl ester IUPAC Name: (3,4-dimethyl-1,2-oxazol-5-yl)-(methoxymethyl)-sulfonylazanium; methyl thiophene-2-carboxylate Traditional Name: (3,4-dimethylisoxazol-5-yl)-(methoxymethyl)-sulfonyl-ammonium; thiophene-2-carboxylic acid methyl ester Formula: C13H17N2O6S2+ MolecularWeight: 361.41388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C)[N+](=S(=O)=O)COC.COC(=O)C1=CC=CS1

Isomeric SMILES

CC1=C(ON=C1C)[N+](=S(=O)=O)COC.COC(=O)C1=CC=CS1

InChI

InChI=1S/C7H11N2O4S.C6H6O2S/c1-5-6(2)8-13-7(5)9(4-12-3)14(10)11;1-8-6(7)5-3-2-4-9-5/h4H2,1-3H3;2-4H,1H3/q+1;